7-Chloro-1,2,3-trihydroxy-6-methoxyxanthen-9-one
| Internal ID | 9c8e9266-25f2-4aaa-8111-21e3b0365f02 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 7-chloro-1,2,3-trihydroxy-6-methoxyxanthen-9-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)OC3=C(C2=O)C(=C(C(=C3)O)O)O)Cl |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)OC3=C(C2=O)C(=C(C(=C3)O)O)O)Cl |
| InChI | InChI=1S/C14H9ClO6/c1-20-9-4-8-5(2-6(9)15)12(17)11-10(21-8)3-7(16)13(18)14(11)19/h2-4,16,18-19H,1H3 |
| InChI Key | PXAQWBQHHVXCLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H9ClO6 |
| Molecular Weight | 308.67 g/mol |
| Exact Mass | 308.0087657 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.61% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.55% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.39% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.59% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.45% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 89.03% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.37% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.12% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.10% | 92.29% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.66% | 89.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.39% | 94.42% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.19% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.70% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.68% | 95.89% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.49% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.40% | 86.92% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.03% | 96.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Polygala vulgaris |
| PubChem | 11809021 |
| LOTUS | LTS0202001 |
| wikiData | Q105216084 |